𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Peptide Folding: When Simulation Meets Experiment

✍ Scribed by Xavier Daura; Karl Gademann; Bernhard Jaun; Dieter Seebach; Wilfred F. van Gunsteren; Alan E. Mark

Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
214 KB
Volume
38
Category
Article
ISSN
0044-8249

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Simulation of peptide folding with expli
Simulation of peptide folding with explicit waterβ€”a mean solvation method
✍ Xiong-Wu Wu; Shen-Shu Sung πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 137 KB πŸ‘ 1 views

A new approach to efficiently calculate solvent effect in computer simulation of macromolecular systems has been developed. Explicit solvent molecules are included in the simulation to provide a mean solvation force for the solute conformational search. Simulations of an alanine dipeptide in aqueous

Rapid boundary element solvation electro
Rapid boundary element solvation electrostatics calculations in folding simulations: Successful folding of a 23-residue peptide
✍ Maxim Totrov; Ruben Abagyan πŸ“‚ Article πŸ“… 2001 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 412 KB πŸ‘ 1 views

Solvation effects play a profound role in the energetics of protein folding. While a continuum dielectric model of solvation may provide a sufficiently accurate estimate of the solvation effects, until now this model was too computationally expensive and unstable for folding simulations. Here we pro